(2R)-N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: (2R)-N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-butanamide CAS Name: (2R)-N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: (2R)-N-benzyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-butyramide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5OS/c1-3-14-26-19(17-10-12-22-13-11-17)24-25-21(26)28-18(4-2)20(27)23-15-16-8-6-5-7-9-16/h3,5-13,18H,1,4,14-15H2,2H3,(H,23,27)/t18-/m1/s1